TL;DR: 4-[(3,3-Dichloroprop-2-en-1-yl)oxy]-2,8-dimethylquinoline (CAS 123452-89-1) is a chemical compound with molecular formula C14H13Cl2NO and molecular weight 281.0374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,3-dichloroprop-2-enoxy)-2,8-dimethylquinoline
Also Known As: BAS 00218002, 4-((3,3-dichloroallyl)oxy)-2,8-dimethylquinoline, 4-(3,3-Dichloro-allyloxy)-2,8-dimethyl-quinoline, 4-(3,3-dichloroprop-2-enoxy)-2,8-dimethylquinoline, 1-(2,8-dimethyl(4-quinolyloxy))-3,3-dichloroprop-2-ene
| Molecular Formula | C14H13Cl2NO |
| Molecular Weight | 281.0374 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.0374 Da |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
| SMILES | CC1=C2C(=CC=C1)C(=CC(=N2)C)OCC=C(Cl)Cl |
| InChIKey | RLZFQFSPFPDMBT-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 4-[(3,3-Dichloroprop-2-en-1-yl)oxy]-2,8-dimethylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.1 Ų, 4-[(3,3-Dichloroprop-2-en-1-yl)oxy]-2,8-dimethylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3,3-Dichloroprop-2-en-1-yl)oxy]-2,8-dimethylquinoline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(3,3-Dichloroprop-2-en-1-yl)oxy]-2,8-dimethylquinoline is 123452-89-1.
The molecular formula of 4-[(3,3-Dichloroprop-2-en-1-yl)oxy]-2,8-dimethylquinoline is C14H13Cl2NO.
The molecular weight of 4-[(3,3-Dichloroprop-2-en-1-yl)oxy]-2,8-dimethylquinoline is 281.0374 g/mol.
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